1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine

C17H19F2NO — CID 103924687

IUPAC1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
SMILESCOCc1ccccc1CNC(C)c1cccc(F)c1F
InChIInChI=1S/C17H19F2NO/c1-12(15-8-5-9-16(18)17(15)19)20-10-13-6-3-4-7-14(13)11-21-2/h3-9,12,20H,10-11H2,1-2H3
InChIKeyIDWVJTCKGGUVQI-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.96
Rot. Bonds6

About 1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine

1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine (PubChem CID 103924687) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
PubChem CID103924687
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
SMILESCOCc1ccccc1CNC(C)c1cccc(F)c1F
InChIInChI=1S/C17H19F2NO/c1-12(15-8-5-9-16(18)17(15)19)20-10-13-6-3-4-7-14(13)11-21-2/h3-9,12,20H,10-11H2,1-2H3
InChIKeyIDWVJTCKGGUVQI-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81396656
1-(2,3-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 103878337
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60923656
(1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 81377742
1-(2,5-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 60924210
(1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine
CID 81380322
N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54861778
1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 103878320
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 103954659
1-(2,3-difluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine
CID 103906175
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine
CID 43203767
(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380739

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine (CID 103924687) is 1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine is COCc1ccccc1CNC(C)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine?
The InChIKey is IDWVJTCKGGUVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-12(15-8-5-9-16(18)17(15)19)20-10-13-6-3-4-7-14(13)11-21-2/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine?
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine has a molecular weight of 291.34 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 103924687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).